SCHEMBL6895640

SCHEMBL6895640

O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
LPAR1 Q92633 1/20 0.45
CTSL P07711 3/20 0.44
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
TSHR P16473 1/20 0.43
MC4R P32245 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27576411 1.00 CA2 (0.47) CA2MEN1KMT2ANPC1RAB9A
SCHEMBL27538262 0.89 LPAR1 (0.53) LPAR1MMEACECPA1ACE2
SCHEMBL6891317 0.89 LPAR1 (0.53) LPAR1MMEACECPA1ACE2
SCHEMBL6895388 0.89 LPAR1 (0.53) LPAR1MMEACECPA1ACE2
SCHEMBL27559918 0.88 MEN1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27559920 0.88 MEN1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6895621 0.87 MME (0.57) LPAR1MMEACECPA1ACE2
SCHEMBL6898016 0.86 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6898246 0.86 FPR2 (0.45) CA2MEN1KMT2ANPC1RAB9A
SCHEMBL27541559 0.86 FPR2 (0.45) CA2MEN1KMT2ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198376-A1 Novel urea derivatives TNF, CTH, CFH CA2 4200/4885MEN1 4882/4885KMT2A 4759/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.